N-[(Z)-3-(azepan-1-yl)-1-(4-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(4-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(4-methoxyphenyl)vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(4-methoxyphenyl)vinyl]-3-nitro-benzamide Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(=O)N2CCCCCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(/C(=O)N2CCCCCC2)\NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c1-31-20-11-9-17(10-12-20)15-21(23(28)25-13-4-2-3-5-14-25)24-22(27)18-7-6-8-19(16-18)26(29)30/h6-12,15-16H,2-5,13-14H2,1H3,(H,24,27)/b21-15-